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MMsINC code: MMs01667590

Type: Neutral
Formula: C₁₉H₁₉BrN₂O₂

SMILES:

Brc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1

InChI:

InChI=1/C19H19BrN2O2/c20-16-10-4-2-8-14(16)18(23)21-17-11-5-3-9-15(17)19(24)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.502 kcal/mol

Physical Properties
Molecular Weight: 387.277 g/mol	logS: -5.23955	SlogP: 4.3275	Reactive groups: 0

Topological Properties
Globularity: 0.0707652	Sterimol/B1: 2.63208	Sterimol/B2: 3.56522	Sterimol/B3: 3.75092
Sterimol/B4: 8.96562	Sterimol/L: 14.7919

Surface and Volume Properties
Accessible surface: 578.981	Positive charged surface: 323.809	Negative charged surface: 255.171	Volume: 334.375
Hydrophobic surface: 537.937	Hydrophilic surface: 41.044

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.